Event listings

Announcements of conferences, workshops, schools..

International Winter School "Computation of ... (No replies)

ari.p.seitsonen
8 months ago
ari.p.seitsonen 8 months ago

  On behalf of the organizing committee, it is my pleasure to announce the International Winter School

        "Computation of NMR properties"

                 http://www.mse-chair.org/

which will be held from November 13th to 17th 2017 at CEA Paris-Saclay - INSTN

  This School focuses on the computation of NMR parameters by DFT methods and applications in solids and liquids.

The following topics will be covered :
   - Principles of NMR spectroscopy and formalism
   - Simulation of NMR spectra
   - DFT method
   - DFT-NMR in molecular systems (localized basis-set methods)
   - DFT-NMR in solids (GIPAW methods)
   - Introduction to molecular dynamics
   - Applications (NMR crystallography, quadrupolar nuclei, disordered systems, MRI, glasses)

  The school is organized in 5 half-days (morning) of theoretical lectures and 4 half-days of hands-on sessions (afternoon).

  Registration is open through the website:
http://www.mse-chair.org/?event=computation-of-nmr-properties

  Speakers:
M.H. Levitt, N. Giraud, J.N. Dumez, J.D. Gale, A. Auer, A.P. Seitsonen, C. Martineau, F. Fayon, M. Salanne, J.V. Hanna, R. Pollet and T. Charpentier

  Software:
Quantum Espresso http://www.quantum-espresso.org/
ORCA https://orcaforum.cec.mpg.de/

  Contacts:
[email protected]
[email protected]

        Thibault Charpentier

--------------------------------------------------------------------------------------------
Thibault Charpentier
NIMBE UMR 3685, CEA, CNRS, Université Paris-Saclay, CEA Saclay
--------------------------------------------------------------------------------------------



Back to Event listings...

Leave a Reply

Ab initio (from electronic structure) calculation of complex processes in materials